| Theoretical investigations of the impurity axial displacement for ZnO:V3+ | |
| Zhang, Zhi-Hong1; Wu, Shao-Yi2; Zhang, Hua-Ming1 | |
| Corresponding Author | Zhang, Zhi-Hong(zhi_hongzhang@yahoo.cn) |
| 2011-05-01 | |
| Source Publication | JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
 |
| ISSN | 0734-2101 |
| Volume | 29Issue:3Pages:6 |
| Abstract | The local structure of the V3+ center in ZnO crystal is theoretically investigated using the perturbation formulas of the spin Hamiltonian parameters for a 3d(2) ion in trigonally distorted tetrahedra. From the studies, the impurity V3+ is found not to occupy the ideal Zn2+ site in ZnO but to suffer an outward displacement of about 0.08 angstrom away from the oxygen triangle along the C-3 axis. The calculated spin Hamiltonian parameters based on the above impurity displacement show good agreement with the experimental data. The outward displacement of the impurity V3+ in ZnO can be attributed to the local tension due to the size and charge mismatching substitution of the host Zn2+ by the larger and higher charged V3+. The studies of this work would be helpful to the investigations of the structure properties of ZnO (or other similar II-VI semiconductors) doped with transition-metal ions. (C) 2011 American Vacuum Society. [DOI: 10.1116/1.3573978] |
| Funding Organization | UESTC |
| DOI | 10.1116/1.3573978 |
| Indexed By | SCI |
| Language | 英语 |
| Funding Project | UESTC |
| WOS Research Area | Materials Science ; Physics |
| WOS Subject | Materials Science, Coatings & Films ; Physics, Applied |
| WOS ID | WOS:000289689000041 |
| Publisher | A V S AMER INST PHYSICS |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.imr.ac.cn/handle/321006/106706 |
| Collection | 中国科学院金属研究所 |
| Corresponding Author | Zhang, Zhi-Hong |
| Affiliation | 1.Univ Elect Sci & Technol China, Dept Appl Phys, Chengdu 610054, Peoples R China 2.Chinese Acad Sci, Int Ctr Mat Phys, Shenyang 110016, Peoples R China |
| Recommended Citation GB/T 7714 | Zhang, Zhi-Hong,Wu, Shao-Yi,Zhang, Hua-Ming. Theoretical investigations of the impurity axial displacement for ZnO:V3+[J]. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A,2011,29(3):6. |
| APA | Zhang, Zhi-Hong,Wu, Shao-Yi,&Zhang, Hua-Ming.(2011).Theoretical investigations of the impurity axial displacement for ZnO:V3+.JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A,29(3),6. |
| MLA | Zhang, Zhi-Hong,et al."Theoretical investigations of the impurity axial displacement for ZnO:V3+".JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A 29.3(2011):6. |
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